Basic information
- Standard SMILES
Cc1c[nH]c2cc(OCc3ccccc3)c(C(=O)C(=CN(C)C)N3CCN(C(=O)OCc4ccccc4)CC3)cc12- InChIKey
ILQUBSCAHVCPPH-UHFFFAOYSA-N- Molecular formula
- C33H36N4O4
- Average molar mass
- 552.7 g/mol
- Monoisotopic mass
- 552.27365564
Names & identifiers
- Preferred name
- 4-[1-(6-Benzyloxy-3-methyl-1H-indole-5-carbonyl)-2-dimethylamino-vinyl]-piperazine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl 4-[1-(dimethylamino)-3-(3-methyl-6-phenylmethoxy-1H-indol-5-yl)-3-oxoprop-1-en-2-yl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL4483426ILQUBSCAHVCPPH-UHFFFAOYSA-N4-[1-(6-Benzyloxy-3-methyl-1H-indole-5-carbonyl)-2-dimethylamino-vinyl]-piperazine-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 69060591
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 890
Related reactions
2 records
Compound notes
Loading…